1,2-Bis(trifluoromethyl)benzene

Basic Information

View in Editor

CAS Number

433-95-4

Molecular Formula

C8H4F6

Molecular Weight

214.11 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

142°C

Flash Point

29.9℃

Refractive Index

1.3920-1.3960

SMILES

View in Editor

C1=CC=C(C(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H

InChIKey

XXZOEDQFGXTEAD-UHFFFAOYSA-N

LogP

3.7242000000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

169

Safety Information

View Safety Information

GHS Hazard Pictograms

H226

H315

H319

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

433-95-4
MFCD03094218
1,2-bis-(trifluoromethyl)benzene
o-Bis(trifluoromethyl)benzene
A872705
a,a,a,a',a',a'-Hexafluoro-o-xylene
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-o-xylene
1,2-BIS(TRIFLUOROMETHYL)BENZENE
MRD8XU7FGR
UNII-MRD8XU7FGR
DTXSID90195818
o-Ditrifluoromethylbenzene
B3110
AMY2561
Benzene, 1,2-bis(trifluoromethyl)-
GS-6818
o-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-
AKOS005063710
SCHEMBL63469
EINECS 207-092-3
NS00042865
hexafluoroxylene
InChI=1/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4
FT-0632127
1,2-Bis(trifluoromethyl)benzene
o-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
1,2-BIS(TRIFLUROMETHYL)BENZENE
α,α,α,α',α',α'-Hexafluoro-o-xylene
1,2-Bis-(trifluoromethyl)benzene
1,2-Bis-trifluormethyl-benzol
1,2-bis-trifluoromethyl-benzene

MDL Number

MFCD03094218

FAQ

What are the physical and chemical properties of 1,2-Bis(trifluoromethyl)benzene (CAS: 433-95-4)?

1,2-Bis(trifluoromethyl)benzene (CAS: 433-95-4) is a colorless, crystalline solid with a high melting point of 86.5°C. The molecular weight is 217.09 g/mol. It has limited water solubility and is highly soluble in organic solvents such as benzene, toluene, and chloroform. This compound is chemically stable under normal conditions but reacts with strong reducing agents. It is used in the synthesis of various pharmaceuticals and materials due to its unique trifluoromethyl substituents.

How is 1,2-Bis(trifluoromethyl)benzene (CAS: 433-95-4) typically synthesized?

1,2-Bis(trifluoromethyl)benzene is synthesized via the Friedel-Crafts alkylation of benzene with trifluoromethyl chloride in the presence of aluminum chloride as a catalyst. This method provides good yield and selectivity. Alternatively, it can be produced using bromobenzene and trifluoromethyl sulfonic acid in acetic acid, which is a more contemporary approach.

What industries use 1,2-Bis(trifluoromethyl)benzene (CAS: 433-95-4)?

1,2-Bis(trifluoromethyl)benzene (CAS: 433-95-4) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates and in the polymer industry for the production of high-performance materials. It also finds applications in the development of sensors, semiconductors, and electronic devices due to its unique properties.

What precautions should be taken when handling 1,2-Bis(trifluoromethyl)benzene (CAS: 433-95-4)?

When handling 1,2-Bis(trifluoromethyl)benzene (CAS: 433-95-4), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a fume hood or a well-ventilated area. Spills should be handled with caution using appropriate chemicals and equipment. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.